| Literature DB >> 23780699 |
Florent Calvo1, Elke Pahl, Michael Wormit, Peter Schwerdtfeger.
Abstract
An old problem solved: Monte Carlo simulations using the diatomic-in-molecule method derived from accurate ground- and excited-state relativistic calculations for Hg2 show that the melting temperature for bulk mercury is lowered by 105 K, which is due to relativistic effects.Entities:
Keywords: Monte Carlo simulations; melting; mercury; relativistic effects
Year: 2013 PMID: 23780699 DOI: 10.1002/anie.201302742
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336